CAS 932-22-9|4,5-dichloro-2H-pyridazin-3-one|4,5-Dichloro-2,3-dihydro-3-oxopyridazine|4,5-dichloro-2,3-dihydropyridazin-3-one|4,5-Dichloropyridazin-3(2H)-one|4,5-二氯-3-羟基哒嗪|4,5-Dichloro-3-hydro...

General Information

Structure

Molecular Formula

C₄H₂Cl₂N₂O

Molecular Mass

164.97748

Exact Mass

163.95441805

Charge

InChI

InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9)

InChIKey

VJWXIRQLLGYIDI-UHFFFAOYSA-N

Canonic Smiles

Clc1c(Cl)cn[nH]c1=O

Isomeric Smiles

c1(c(=O)[nH]ncc1Cl)Cl

Calculated Properties

JChem

Acid pKa

8.032361

H Acceptors

H Donor

LogD (pH = 5.5)

0.7674711

LogD (pH = 7.4)

0.68897843

Log P

0.76859856

Molar Refractivity

35.5435

Polarizability

12.997762

Polar Surface Area

41.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4,5-dichloro-2,3-dihydropyridazin-3-one

Synonyms

4,5-Dichloro-2,3-dihydro-3-oxopyridazine4,5-Dichloropyridazin-3(2H)-one4,5-Dichloro-3-hydroxypyridazine4,5-二氯-3-羟基哒嗪4,5-二氯哒嗪-3(2H)-酮4,5-Dichloro-6-oxo-1H-pyridazineNSC 17182NSC 2400223-Hydroxy-4,5-dichloropyridazine4,5-Dichloro-3-hydroxypyridazineNSC 161274,5-Dichloro-2H-pyridazin-3-one4,5-Dichloro-6-pyridazone4,5-Dichloro-3(2H)-pyridazone4,5-Dichloro-3(2H)-pyridazinone4,5-二氯哒嗪3(2H)酮4,5-Dichloropyridazin-3(2H)-one4,5-Dichloro-3(2H)-pyridazinone

IUPAC Traditional name

4,5-dichloro-2H-pyridazin-3-one

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

Beilstein Number